1-[4-[2-(4-chloranylphenoxy)ethanoyl]-3-methyl-piperazin-1-yl]-5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one

Systemtic Name: 1-[4-[2-(4-chloranylphenoxy)ethanoyl]-3-methyl-piperazin-1-yl]-5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Openeye Name: 1-[4-[2-(4-chlorophenoxy)acetyl]-3-methyl-piperazin-1-yl]-5-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one CAS Name: 1-[4-[2-(4-chlorophenoxy)-1-oxoethyl]-3-methyl-1-piperazinyl]-5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-pentanone IUPAC Name: 1-[4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-1-yl]-5-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Traditional Name: 1-[4-[2-(4-chlorophenoxy)acetyl]-3-methyl-piperazino]-5-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]pentan-1-one Formula: C33H36ClN5O3S MolecularWeight: 618.18864

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)COC2=CC=C(C=C2)Cl)C(=O)CCCCSC3=NN=C(N3C4=CC=C(C=C4)C)C5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)COC2=CC=C(C=C2)Cl)C(=O)CCCCSC3=NN=C(N3C4=CC=C(C=C4)C)C5=CC=CC=C5

InChI

InChI=1S/C33H36ClN5O3S/c1-24-11-15-28(16-12-24)39-32(26-8-4-3-5-9-26)35-36-33(39)43-21-7-6-10-30(40)37-19-20-38(25(2)22-37)31(41)23-42-29-17-13-27(34)14-18-29/h3-5,8-9,11-18,25H,6-7,10,19-23H2,1-2H3